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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H22O3
Molecular Weight 238.3227
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(3-OXOBUTYL)-3-METHYL-6-((R)2-PROPANAL)-CYCLOHEXANONE, (2S,3R,6S)-

SMILES

[H][C@]1(CC[C@@H](C)[C@H](CCC(C)=O)C1=O)[C@@H](C)C=O

InChI

InChIKey=RTBJZMMNKXQFDB-URBCHYCLSA-N
InChI=1S/C14H22O3/c1-9-4-6-13(10(2)8-15)14(17)12(9)7-5-11(3)16/h8-10,12-13H,4-7H2,1-3H3/t9-,10+,12+,13+/m1/s1

HIDE SMILES / InChI

Molecular Formula C14H22O3
Molecular Weight 238.3227
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
MCF3ZU73BU
Record Status Validated (UNII)
Record Version